Tìm theo
2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid
Thuốc Gốc
Small Molecule
CTHH: C20H19F3N2O3
PTK: 392.3717
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H19F3N2O3
Phân tử khối
392.3717
Monoisotopic mass
392.134777099
InChI
InChI=1S/C20H19F3N2O3/c21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(28)24-17-8-4-2-6-15(17)18(26)27/h1-8,13H,9-12H2,(H,24,28)(H,26,27)
InChI Key
InChIKey=MEAQCLPMSVEOQF-UHFFFAOYSA-N
IUPAC Name
2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid
Traditional IUPAC Name
2-({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonylamino)benzoic acid
SMILES
OC(=O)C1=C(NC(=O)N2CCC(CC2)C2=C(C=CC=C2)C(F)(F)F)C=CC=C1
Độ hòa tan
1.01e-02 g/l
logP
4.78
logS
-4.6
pKa (strongest acidic)
3.53
pKa (Strongest Basic)
-3
PSA
69.64 Å2
Refractivity
99.41 m3·mol-1
Polarizability
36.92 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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